SCHEMBL3725894

SCHEMBL3725894

C=C[C@@H]1OC(C)(C)O[C@@H]1CO

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13149192 1.00 LSS (0.32) LSS
SCHEMBL3725896 1.00 LSS (0.32) LSS
SCHEMBL14068268 1.00 LSS (0.32) LSS
SCHEMBL16883359 0.81
SCHEMBL14709159 0.81
SCHEMBL19154152 0.81
SCHEMBL13644872 0.81
SCHEMBL15330939 0.79 PGD (0.32)
SCHEMBL14256138 0.79 PGD (0.32)
SCHEMBL12825900 0.79 CYP3A4 (0.34) LSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200516-A Synthesis of sugars from substituted and unsubstituted arene diols VIRGINIA TECH INTELLECTUAL PROPERTIES (US) 1993-04-06 US claimed
WO-1991012257-A2 SYNTHESIS OF SUGARS AND AMINO ACIDS FROM SUBSTITUTED AND UNSUBSTITUTED ARENE DIOLS GENENCOR INTERNATIONAL, INC. (US) 1991-08-22 WO claimed
US-20170128454-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. 2017-05-11 US disclosed
US-20170128454-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. 2017-05-11 US disclosed
US-9580428-B2 Compositions and methods for inhibiting viral polymerase BIOCRYST PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-9580428-B2 Compositions and methods for inhibiting viral polymerase BIOCRYST PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20150191472-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191472-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. 2015-07-09 US disclosed
WO-2013158746-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE BIOCRYST PHARMACEUTICALS, INC. (US) 2013-10-24 WO disclosed
US-7825126-B2 Purine derivatives as A3 and A1 adenosine receptor agonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPT OF HEALTH AND H (MD) 2007-10-04 US disclosed
EP-1794162-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2007-06-13 EP disclosed
WO-2006031505-A1 PURINE DERIVATIVES AS A3 AND A1 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-03-23 WO disclosed
WO-1991012257-A2 SYNTHESIS OF SUGARS AND AMINO ACIDS FROM SUBSTITUTED AND UNSUBSTITUTED ARENE DIOLS GENENCOR INTERNATIONAL, INC. (US) 1991-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170128454-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE POLRMT, POLR1E, POLR1A LSS 1062/4885
US-20150191472-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE POLRMT, POLR1E, POLR1A LSS 1062/4885
US-20070232626-A1 Purine Derivatives as A3 and A1 Adenosine Receptor Agonists ADORA1, ADORA3, ADORA2A LSS 4171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.